1-docosyl-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate

Systemtic Name: 1-docosyl-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Openeye Name: 1-docosyl-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate CAS Name: 1-docosyl-3-(4-methoxyphenyl)benzo[f][1]benzopyran-4-ium perchlorate IUPAC Name: 1-docosyl-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Traditional Name: 1-behenyl-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Formula: C42H59ClO6 MolecularWeight: 695.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=CC(=[O+]C2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=CC(=[O+]C2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C42H59O2.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-37-34-41(36-28-31-38(43-2)32-29-36)44-40-33-30-35-25-23-24-27-39(35)42(37)40;2-1(3,4)5/h23-25,27-34H,3-22,26H2,1-2H3;(H,2,3,4,5)/q+1;/p-1